4-bromo-2-(trifluoromethyl)-1,10-phenanthroline

C13H6BrF3N2 — CID 83399919

IUPAC4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1cc(Br)c2ccc3cccnc3c2n1
InChIInChI=1S/C13H6BrF3N2/c14-9-6-10(13(15,16)17)19-12-8(9)4-3-7-2-1-5-18-11(7)12/h1-6H
InChIKeyGQDYBAMRUWNWGI-UHFFFAOYSA-N
MW327.10 g/mol
LogP4.56
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline

4-bromo-2-(trifluoromethyl)-1,10-phenanthroline (PubChem CID 83399919) has the molecular formula C13H6BrF3N2 and a molecular weight of 327.10 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
PubChem CID83399919
Molecular FormulaC13H6BrF3N2
Molecular Weight327.10 g/mol
Exact Mass325.97
IUPAC Name4-bromo-2-(trifluoromethyl)-1,10-phenanthroline
SMILESFC(F)(F)c1cc(Br)c2ccc3cccnc3c2n1
InChIInChI=1S/C13H6BrF3N2/c14-9-6-10(13(15,16)17)19-12-8(9)4-3-7-2-1-5-18-11(7)12/h1-6H
InChIKeyGQDYBAMRUWNWGI-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.10
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

copper(1+);2-(trifluoromethyl)-1,10-phenanthroline
CID 175971875
9-(trifluoromethyl)benzo[b][1,10]phenanthrolin-7-amine
CID 126705435
3-(trifluoromethyl)-2H-pyrazolo[4,3-h]quinoline
CID 102451668
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
copper(1+);1,1,1,2,2-pentafluoroethane;1,10-phenanthroline
CID 118415323
2-[2-(1,10-phenanthrolin-2-yl)propan-2-yl]-1,10-phenanthroline
CID 139174668

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline?
The IUPAC name of 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline (CID 83399919) is 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline is FC(F)(F)c1cc(Br)c2ccc3cccnc3c2n1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline?
The InChIKey is GQDYBAMRUWNWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2/c14-9-6-10(13(15,16)17)19-12-8(9)4-3-7-2-1-5-18-11(7)12/h1-6H.
What are the key properties of 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline?
4-bromo-2-(trifluoromethyl)-1,10-phenanthroline has a molecular weight of 327.10 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)-1,10-phenanthroline is sourced from PubChem (CID 83399919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).